Geometry & MOs

Info

ID:	253464
PubChem CID:	103118622
Reduced:	O3N6C11H16 (1)
Stoich.:	A3B6C11D16 (1)
Weight, g/mol:	298.094501
ΔH_f, kcal/mol:	-9.94
Dipole, Da:	4.97
IP(EA), eV:	-10.04(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CN2C(=C(N=N2)C(=O)OC)CCN

DOS

IR

Vibrations